5-(4-phenoxyphenyl)-1-phosphono-pentane-1-sulfonic acid

Systemtic Name: 5-(4-phenoxyphenyl)-1-phosphono-pentane-1-sulfonic acid Openeye Name: 5-(4-phenoxyphenyl)-1-phosphono-pentane-1-sulfonic acid CAS Name: 5-(4-phenoxyphenyl)-1-phosphono-1-pentanesulfonic acid IUPAC Name: 5-(4-phenoxyphenyl)-1-phosphonopentane-1-sulfonic acid Traditional Name: 5-(4-phenoxyphenyl)-1-phosphono-pentane-1-sulfonic acid Formula: C17H21O7PS MolecularWeight: 400.383201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CCCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CCCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C17H21O7PS/c18-25(19,20)17(26(21,22)23)9-5-4-6-14-10-12-16(13-11-14)24-15-7-2-1-3-8-15/h1-3,7-8,10-13,17H,4-6,9H2,(H2,18,19,20)(H,21,22,23)